SCHEMBL8234377

SCHEMBL8234377

CCOC(=O)N1CCC(C)=C(c2ccc(NC(=O)C3SN=NC3C)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ RIN1 Q13671 1/20 0.40
▸ CYP2C19 P33261 1/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN6 P29350 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL984933 0.74 LMNA (0.48) MAPTLMNATDP1KMT2APOLB
SCHEMBL15654783 0.72 MAPT (0.40) MAPTLMNATDP1HTTKMT2A
SCHEMBL616370 0.72 MAPT (0.46) MAPTLMNATDP1KMT2APOLB
SCHEMBL987687 0.72 MAPT (0.41) MAPTLMNATDP1KMT2APOLB
SCHEMBL3557238 0.72 LMNA (0.42) MAPTLMNATDP1KMT2APOLB
SCHEMBL3557236 0.70 ALDH1A1 (0.41) LMNAKMT2APOLBCYP2C19RXFP1
SCHEMBL15654770 0.70 GRM5 (0.42) MAPTLMNATDP1KMT2APOLB
SCHEMBL3704151 0.69 ALDH1A1 (0.44) MAPTLMNATDP1HTTPOLB
SCHEMBL10104881 0.66 MAPT (0.40) MAPTLMNATDP1HTTKMT2A
SCHEMBL8232807 0.65 ERN1 (0.41) MAPTLMNATDP1POLBABL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007087443-A2 VINYL-PHENYL DERIVATIVES FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 — — WO disclosed
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